triethoxy(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-λ5-phosphane

C9H15F6O3P — CID 12732919

IUPACtriethoxy(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-λ5-phosphane
SMILESCCOP(OCC)(OCC)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H15F6O3P/c1-4-16-19(17-5-2,18-6-3)7(8(10,11)12)9(13,14)15/h4-6H2,1-3H3
InChIKeyPIGQZHPOWGPCAL-UHFFFAOYSA-N
MW316.18 g/mol
LogP4.16
Rot. Bonds6

About triethoxy(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-λ5-phosphane

triethoxy(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-λ5-phosphane (PubChem CID 12732919) has the molecular formula C9H15F6O3P and a molecular weight of 316.18 g/mol. Its IUPAC name is triethoxy(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-λ5-phosphane.

Molecular Properties

Compound Nametriethoxy(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-λ5-phosphane
PubChem CID12732919
Molecular FormulaC9H15F6O3P
Molecular Weight316.18 g/mol
Exact Mass316.07
IUPAC Nametriethoxy(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-λ5-phosphane
SMILESCCOP(OCC)(OCC)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H15F6O3P/c1-4-16-19(17-5-2,18-6-3)7(8(10,11)12)9(13,14)15/h4-6H2,1-3H3
InChIKeyPIGQZHPOWGPCAL-UHFFFAOYSA-N
XLogP4.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethoxy(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-λ5-phosphane?
The IUPAC name of triethoxy(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-λ5-phosphane (CID 12732919) is triethoxy(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-λ5-phosphane.
What is the SMILES notation for triethoxy(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-λ5-phosphane?
The canonical SMILES for triethoxy(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-λ5-phosphane is CCOP(OCC)(OCC)=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of triethoxy(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-λ5-phosphane?
The InChIKey is PIGQZHPOWGPCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F6O3P/c1-4-16-19(17-5-2,18-6-3)7(8(10,11)12)9(13,14)15/h4-6H2,1-3H3.
What are the key properties of triethoxy(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-λ5-phosphane?
triethoxy(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-λ5-phosphane has a molecular weight of 316.18 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-λ5-phosphane is sourced from PubChem (CID 12732919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).